BDBM36184 4-phenylbutanoate

SMILES [O-]C(=O)CCCc1ccccc1

InChI Key InChIKey=OBKXEAXTFZPCHS-UHFFFAOYSA-M

Data  2 KI  11 IC50  1 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 36184   

TargetHistone deacetylase(Homo sapiens (Human))
Hacettepe University

Curated by ChEMBL
LigandPNGBDBM36184(4-phenylbutanoate)
Affinity DataKi:  6.34E+3nMAssay Description:Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
University Of Catania

Curated by ChEMBL
LigandPNGBDBM36184(4-phenylbutanoate)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 36184   

HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36184(4-phenylbutanoate)
ITC DataΔG°: -3.60kcal/mole −TΔS°: -0.783kcal/mole ΔH°: -2.81kcal/mole logk: 435
pH: 6.9 T: 25.00°C 
In DepthDetails Article